SCHEMBL13645730

SCHEMBL13645730

Cc1cc(C(=O)CBr)cc(Br)c1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.46
TTR P02766 1/20 0.44
PTPN1 P18031 3/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ESR1 P03372 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9862861 0.88 GSK3B (0.52) GSK3BPTPN1KMT2AMEN1NPC1
SCHEMBL1191123 0.86 TTR (0.58) GSK3BTTRPTPN1ESR1
SCHEMBL9508765 0.79 HMGB1 (0.54) GSK3BPTPN1KMT2AMEN1NPC1
SCHEMBL28317225 0.79 TTR (0.72) TTRPTPN1ALDH1A1MAPT
SCHEMBL9863598 0.79 TTR (0.48) TTRKMT2AMEN1NPC1ESR1
SCHEMBL11956604 0.78 GSK3B (0.54) GSK3BPTPN1KMT2AMEN1NPC1
SCHEMBL18629793 0.78 PTPN1 (0.46) GSK3BTTRPTPN1ESR1
SCHEMBL12187574 0.77 ALOX5 (0.47) GSK3BTTRPTPN1KMT2AMEN1
SCHEMBL9631723 0.77 CYP1A2 (0.50) GSK3BPTPN1KMT2AMEN1NPC1
SCHEMBL18629884 0.76 GSK3B (0.45) GSK3BPTPN1KMT2AMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131952-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING THIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed